N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide

C17H20ClF3N4O — CID 71914311

IUPACN-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide
SMILESCc1nn(C)c(C)c1C(NCC(=O)Nc1cccc(Cl)c1C)C(F)(F)F
InChIInChI=1S/C17H20ClF3N4O/c1-9-12(18)6-5-7-13(9)23-14(26)8-22-16(17(19,20)21)15-10(2)24-25(4)11(15)3/h5-7,16,22H,8H2,1-4H3,(H,23,26)
InChIKeyHNQAUTLKISAPIU-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.83
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide

N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide (PubChem CID 71914311) has the molecular formula C17H20ClF3N4O and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide
PubChem CID71914311
Molecular FormulaC17H20ClF3N4O
Molecular Weight388.82 g/mol
Exact Mass388.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide
SMILESCc1nn(C)c(C)c1C(NCC(=O)Nc1cccc(Cl)c1C)C(F)(F)F
InChIInChI=1S/C17H20ClF3N4O/c1-9-12(18)6-5-7-13(9)23-14(26)8-22-16(17(19,20)21)15-10(2)24-25(4)11(15)3/h5-7,16,22H,8H2,1-4H3,(H,23,26)
InChIKeyHNQAUTLKISAPIU-UHFFFAOYSA-N
XLogP3.83
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 43466013
2-[2-oxo-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]ethyl]benzoic acid
CID 120551930
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 71846165
1-[2-(4-methylpiperazin-1-yl)phenyl]-3-[(1R)-2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 97001637
N-(3-chloro-2-methylphenyl)-3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19563786
N-(3-chloro-2-methylphenyl)-2-(1-methyltetrazol-5-yl)sulfanylacetamide
CID 2391024
N-(3-chloro-2-methylphenyl)-2-[[cyclopropyl(phenyl)methyl]amino]acetamide
CID 112806311
N-(3-chloro-2-methylphenyl)-2-[(1-methylimidazol-4-yl)sulfonylamino]acetamide
CID 71879584
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide (CID 71914311) is N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide is Cc1nn(C)c(C)c1C(NCC(=O)Nc1cccc(Cl)c1C)C(F)(F)F.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide?
The InChIKey is HNQAUTLKISAPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF3N4O/c1-9-12(18)6-5-7-13(9)23-14(26)8-22-16(17(19,20)21)15-10(2)24-25(4)11(15)3/h5-7,16,22H,8H2,1-4H3,(H,23,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide?
N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide has a molecular weight of 388.82 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[[2,2,2-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]amino]acetamide is sourced from PubChem (CID 71914311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).